Details of the Drug

General Information of Drug (ID: DMJNQ9K)

Drug Name

Octanedioic acid bis-hydroxyamide

Synonyms

Suberohydroxamic acid

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

204.22

Logarithm of the Partition Coefficient (xlogp)

-0.5

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C8H16N2O4
IUPAC Name: N,N'-dihydroxyoctanediamide
Canonical SMILES: C(CCCC(=O)NO)CCC(=O)NO
InChI: InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
InChIKey: IDQPVOFTURLJPT-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase (HDAC)	TTBH0VX	NOUNIPROTAC	Inhibitor	[2]
Histone deacetylase 1 (HDAC1)	TT6R7JZ	HDAC1_HUMAN	Inhibitor	[1]
Histone deacetylase 2 (HDAC2)	TTSHTOI	HDAC2_HUMAN	Inhibitor	[1]
Histone deacetylase 4 (HDAC4)	TTTQGH8	HDAC4_HUMAN	Inhibitor	[1]
Histone deacetylase 6 (HDAC6)	TT5ZKDI	HDAC6_HUMAN	Inhibitor	[1]
Histone deacetylase 8 (HDAC8)	TTT6LFV	HDAC8_HUMAN	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
7SK snRNA methylphosphate capping enzyme (MEPCE)	OTRBQEYP	MEPCE_HUMAN	Gene/Protein Processing	[3]
Bcl-2-modifying factor (BMF)	OT90NSLI	BMF_HUMAN	Gene/Protein Processing	[3]
Cyclin-dependent kinase 5 activator 1 (CDK5R1)	OTJELWK0	CD5R1_HUMAN	Gene/Protein Processing	[3]
DmX-like protein 1 (DMXL1)	OTWVL31L	DMXL1_HUMAN	Gene/Protein Processing	[3]
ELL-associated factor 2 (EAF2)	OTSOET5L	EAF2_HUMAN	Gene/Protein Processing	[3]
G-protein coupled receptor 183 (GPR183)	OTRILX7G	GP183_HUMAN	Gene/Protein Processing	[3]
INO80 complex subunit D (INO80D)	OTY39R4P	IN80D_HUMAN	Gene/Protein Processing	[3]
Pre-mRNA-splicing factor RBM22 (RBM22)	OTFW0IGK	RBM22_HUMAN	Gene/Protein Processing	[3]
Protein Jumonji (JARID2)	OT14UM8H	JARD2_HUMAN	Gene/Protein Processing	[3]
Putative POTE ankyrin domain family member M (POTEM)	OT7L2HGH	POTEM_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histone deacetylase 1 (HDAC1)	DTT	HDAC1	6.27E-01	0.11	0.33

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Structure-activity relationships on phenylalanine-containing inhibitors of histone deacetylase: in vitro enzyme inhibition, induction of differenti... J Med Chem. 2002 Jul 18;45(15):3296-309.
2	Chemical phylogenetics of histone deacetylases. Nat Chem Biol. 2010 Mar;6(3):238-243.
3	Development and validation of the TGx-HDACi transcriptomic biomarker to detect histone deacetylase inhibitors in human TK6 cells. Arch Toxicol. 2021 May;95(5):1631-1645. doi: 10.1007/s00204-021-03014-2. Epub 2021 Mar 26.