Details of the Drug

General Information of Drug (ID: DMWE6V1)

Drug Name

Putrescine

Synonyms

putrescine; 1,4-diaminobutane; 1,4-butanediamine; butane-1,4-diamine; 110-60-1; tetramethylenediamine; Butylenediamine; Putrescin; 1,4-Butylenediamine; Tetramethyldiamine; 1,4-Tetramethylenediamine; putrescina; Putreszin; Tetramethylendiamin; UNII-V10TVZ52E4; NSC 60545; BRN 0605282; H2N(CH2)4NH2; CCRIS 6751; AI3-25444; 1,4-Diamino-n-butane; EINECS 203-782-3; 1,4-Diaminobutane, 99%; CHEMBL46257; V10TVZ52E4; CHEBI:17148; KIDHWZJUCRJVML-UHFFFAOYSA-N; MFCD00008235; 1,4-butanediammonium; Diaminobutane dihydrochloride; PUT; HSDB 7865

Indication

Disease Entry	ICD 11	Status	REF
Burn and burn infection	ND90-NE2Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

88.15

Logarithm of the Partition Coefficient (xlogp)

-0.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C4H12N2
IUPAC Name: butane-1,4-diamine
Canonical SMILES: C(CCN)CN
InChI: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
InChIKey: KIDHWZJUCRJVML-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1045
ChEBI ID: CHEBI:17148
CAS Number: 110-60-1
DrugBank ID: DB01917
TTD ID: D00FMV
INTEDE ID: DR1790

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ornithine decarboxylase (ODC1)	TTUMGNO	DCOR_HUMAN	Inhibitor	[2]
S-adenosylmethionine decarboxylase proenzyme (AMD1)	TTBFROQ	DCAM_HUMAN	Inhibitor	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Amiloride-sensitive amine oxidase (AOC1)_{Main DME}	DETECWH	AOC1_HUMAN	Substrate	[3]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Diamine oxidase (AOC1)	OTRC220K	AOC1_HUMAN	Regulation of Drug Effects	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Burn and burn infection

ICD Disease Classification

ND90-NE2Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Ornithine decarboxylase (ODC1)	DTT	ODC1	5.20E-35	1.58	2.43
S-adenosylmethionine decarboxylase proenzyme (AMD1)	DTT	AMD1	4.41E-05	0.37	0.61
Amiloride-sensitive amine oxidase (AOC1)	DME	AOC1	1.79E-14	6.00E-01	1.28E+00

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2388).
2	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
3	Putrescine metabolism and the study of diamine oxidase activity in vivo. Agents Actions. 1981 Apr;11(1-2):20-7.
4	Diamine oxidase is the amiloride-binding protein and is inhibited by amiloride analogues. J Biol Chem. 1994 Apr 1;269(13):9921-5.