Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMBK86L)

• Drug Name: chaetocin Drug Info
• Synonyms: Chaetocin; Chetocin; 28097-03-2; Chaetocin from Chaetomium minutum; BRN 5722505; AC1L4PPK; GTPL8388; SCHEMBL13662584; CHEBI:94977; MolPort-003-983-881; NSC745363; NSC-745363; LS-52961; Chaetocin from Chaetomium minutum, > J-016970; BRD-A85860691-001-01-4; BRD-A85860691-001-03-0; hydroxymethyl-(hydroxymethyl-methyl-dioxo-[ ]yl)-methyl-[ ]dione; [10b,10'b(11H,11'H)-Bi-3,11a-epidithio-11aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole]-1,1',4,4'-tetrone, 2,2',3,3',5a,5'a,6,6'-octahydro-3,3'-bis(hydroxymethyl)-2,2'-dime

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 11657687
  CAS Number: CAS 28097-03-2
  TTD Drug ID: DMBK86L

Molecule-Related Drug Atlas

Drug(s) Affected By kinase isozyme 4, mitochondrial (PDK4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Quercetin	DM3NC4M	Obesity	5B81	Approved	[3]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[4]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[5]
Liothyronine	DM6IR3P	Congenital hypothyroidism		Approved	[6]
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[7]
Clodronate	DM9Y6X7	Hypercalcaemia	5B91.0	Approved	[7]
Cidofovir	DMA13GD	Cytomegalovirus infection	1D82	Approved	[7]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[8]
Testosterone enanthate	DMB6871	N. A.	N. A.	Approved	[9]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[10]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine N-methyltransferase 1A (SUV39H1)	TTUWQTK	SUV91_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
kinase isozyme 4, mitochondrial (PDK4)	OTCMHMBZ	PDK4_HUMAN	Gene/Protein Processing	[2]

References

• [1] Chaetocin is a nonspecific inhibitor of histone lysine methyltransferases. Nat Chem Biol. 2013 Mar;9(3):136-7.
• [2] Arsenic silences hepatic PDK4 expression through activation of histone H3K9 methylatransferase G9a. Toxicol Appl Pharmacol. 2016 Aug 1;304:42-7. doi: 10.1016/j.taap.2016.05.015. Epub 2016 May 20.
• [3] Integrated assessment by multiple gene expression analysis of quercetin bioactivity on anticancer-related mechanisms in colon cancer cells in vitro. Eur J Nutr. 2005 Mar;44(3):143-56. doi: 10.1007/s00394-004-0503-1. Epub 2004 Apr 30.
• [4] The PPAR gamma agonist troglitazone induces musclin mRNA expression in human myotubes. Horm Metab Res. 2006 Sep;38(9):614-6. doi: 10.1055/s-2006-951310.
• [5] Retinoic acids and trichostatin A (TSA), a histone deacetylase inhibitor, induce human pyruvate dehydrogenase kinase 4 (PDK4) gene expression. Biochim Biophys Acta. 2006 Mar-Apr;1759(3-4):141-51. doi: 10.1016/j.bbaexp.2006.04.005. Epub 2006 Apr 27.
• [6] Role of sirtuin 1 in the regulation of hepatic gene expression by thyroid hormone. J Biol Chem. 2013 Jan 11;288(2):807-18. doi: 10.1074/jbc.M112.437970. Epub 2012 Dec 3.
• [7] Transcriptomics hit the target: monitoring of ligand-activated and stress response pathways for chemical testing. Toxicol In Vitro. 2015 Dec 25;30(1 Pt A):7-18.
• [8] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [9] Transcriptional profiling of testosterone-regulated genes in the skeletal muscle of human immunodeficiency virus-infected men experiencing weight loss. J Clin Endocrinol Metab. 2007 Jul;92(7):2793-802. doi: 10.1210/jc.2006-2722. Epub 2007 Apr 17.
• [10] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.